4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine

C15H14ClN5O — CID 66556279

IUPAC4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine
SMILESClc1c[nH]c2ncc(-c3cncc(N4CCOCC4)n3)cc12
InChIInChI=1S/C15H14ClN5O/c16-12-7-19-15-11(12)5-10(6-18-15)13-8-17-9-14(20-13)21-1-3-22-4-2-21/h5-9H,1-4H2,(H,18,19)
InChIKeyWBMJTUVVLLAXBU-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.51
Rot. Bonds2

About 4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine

4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine (PubChem CID 66556279) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine
PubChem CID66556279
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine
SMILESClc1c[nH]c2ncc(-c3cncc(N4CCOCC4)n3)cc12
InChIInChI=1S/C15H14ClN5O/c16-12-7-19-15-11(12)5-10(6-18-15)13-8-17-9-14(20-13)21-1-3-22-4-2-21/h5-9H,1-4H2,(H,18,19)
InChIKeyWBMJTUVVLLAXBU-UHFFFAOYSA-N
XLogP2.51
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine?
The IUPAC name of 4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine (CID 66556279) is 4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine?
The canonical SMILES for 4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine is Clc1c[nH]c2ncc(-c3cncc(N4CCOCC4)n3)cc12.
What is the InChIKey of 4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine?
The InChIKey is WBMJTUVVLLAXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-12-7-19-15-11(12)5-10(6-18-15)13-8-17-9-14(20-13)21-1-3-22-4-2-21/h5-9H,1-4H2,(H,18,19).
What are the key properties of 4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine?
4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine has a molecular weight of 315.76 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine is sourced from PubChem (CID 66556279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).